skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sb2Pd5 by Materials Project

Abstract

Pd5Sb2 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two Pd and five Sb atoms. There are one shorter (2.90 Å) and one longer (2.96 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.65–3.06 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.91–3.15 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.91 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are three shorter (2.78 Å) and one longer (2.85 Å) Pd–Sb bond lengths. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to four Pd and three Sb atoms. The Pd–Pd bond length is 3.13 Å. All Pd–Sb bond lengths are 2.72 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to four Pd and four Sb atoms. The Pd–Pd bond length is 2.95 Å. Theremore » are a spread of Pd–Sb bond distances ranging from 2.64–2.76 Å. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are three shorter (2.76 Å) and one longer (2.86 Å) Pd–Sb bond lengths. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the third Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms.« less

Publication Date:
Other Number(s):
mp-569451
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb2Pd5; Pd-Sb
OSTI Identifier:
1275104
DOI:
10.17188/1275104

Citation Formats

The Materials Project. Materials Data on Sb2Pd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275104.
The Materials Project. Materials Data on Sb2Pd5 by Materials Project. United States. doi:10.17188/1275104.
The Materials Project. 2020. "Materials Data on Sb2Pd5 by Materials Project". United States. doi:10.17188/1275104. https://www.osti.gov/servlets/purl/1275104. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1275104,
title = {Materials Data on Sb2Pd5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd5Sb2 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to two Pd and five Sb atoms. There are one shorter (2.90 Å) and one longer (2.96 Å) Pd–Pd bond lengths. There are a spread of Pd–Sb bond distances ranging from 2.65–3.06 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are a spread of Pd–Pd bond distances ranging from 2.91–3.15 Å. There are a spread of Pd–Sb bond distances ranging from 2.68–2.91 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd and four Sb atoms. There are three shorter (2.78 Å) and one longer (2.85 Å) Pd–Sb bond lengths. In the fourth Pd site, Pd is bonded in a 3-coordinate geometry to four Pd and three Sb atoms. The Pd–Pd bond length is 3.13 Å. All Pd–Sb bond lengths are 2.72 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to four Pd and four Sb atoms. The Pd–Pd bond length is 2.95 Å. There are a spread of Pd–Sb bond distances ranging from 2.64–2.76 Å. In the sixth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd and four Sb atoms. There are three shorter (2.76 Å) and one longer (2.86 Å) Pd–Sb bond lengths. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms. In the third Sb site, Sb is bonded in a 10-coordinate geometry to ten Pd atoms.},
doi = {10.17188/1275104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: